[(2S)-3-[2-cyanoethyl(phenyl)amino]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-[2-cyanoethyl(phenyl)amino]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-[N-(2-cyanoethyl)anilino]-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-[N-(2-cyanoethyl)anilino]-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-[N-(2-cyanoethyl)anilino]-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-[N-(2-cyanoethyl)anilino]-2-hydroxy-propyl]-methyl-ammonium Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN(CCC#N)C1=CC=CC=C1)O

Isomeric SMILES

C[NH2+]C[C@@H](CN(CCC#N)C1=CC=CC=C1)O

InChI

InChI=1S/C13H19N3O/c1-15-10-13(17)11-16(9-5-8-14)12-6-3-2-4-7-12/h2-4,6-7,13,15,17H,5,9-11H2,1H3/p+1/t13-/m0/s1